2-[[6-methyl-4-oxidanylidene-5-(phenylmethyl)-1H-pyrimidin-2-yl]sulfanyl]ethanoic acid

Systemtic Name: 2-[[6-methyl-4-oxidanylidene-5-(phenylmethyl)-1H-pyrimidin-2-yl]sulfanyl]ethanoic acid Openeye Name: 2-[(5-benzyl-6-methyl-4-oxo-1H-pyrimidin-2-yl)sulfanyl]acetic acid CAS Name: 2-[[6-methyl-4-oxo-5-(phenylmethyl)-1H-pyrimidin-2-yl]thio]acetic acid IUPAC Name: 2-[(5-benzyl-6-methyl-4-oxo-1H-pyrimidin-2-yl)sulfanyl]acetic acid Traditional Name: 2-[(5-benzyl-4-keto-6-methyl-1H-pyrimidin-2-yl)thio]acetic acid Formula: C14H14N2O3S MolecularWeight: 290.33756

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N=C(N1)SCC(=O)O)CC2=CC=CC=C2

Isomeric SMILES

CC1=C(C(=O)N=C(N1)SCC(=O)O)CC2=CC=CC=C2

InChI

InChI=1S/C14H14N2O3S/c1-9-11(7-10-5-3-2-4-6-10)13(19)16-14(15-9)20-8-12(17)18/h2-6H,7-8H2,1H3,(H,17,18)(H,15,16,19)